MolNFT v1 · #147956 · protein

Artificial imine reductase mutant S112A-N118P-K121A-S122M

6ESS · Streptavidin: “Artificial imine reductase mutant S112A-N118P-K121A-S122M”. X-ray diffraction, 2 ligands (4IR, IR), 1 pocket (best druggability 0.47). MolNFT v1 #147956 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6ESS
Type: protein
Length: 122 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Streptavidin
UniProt: P22629
Ligands: 4IR, IR
Pockets: 1 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 55% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Streptavidin	protein	122	7% helix, 55% strand	P22629

Ligands and binding sites

4IR · {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) · ligand · chains A
IR · Iridium ion · metal · 3 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	93	0.47	0.81	17	4IR

Compared structures

6ESS · Artificial imine reductase mutant S112A-N118P-K121A-S122M · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P22629
Elsewhere: RCSB PDB 6ESS · PDBe 6ESS · UniProt P22629

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